5-thiophen-2-yl-1H-indole-2,3-dione

C12H7NO2S — CID 14810154

IUPAC5-thiophen-2-yl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3cccs3)cc2C1=O
InChIInChI=1S/C12H7NO2S/c14-11-8-6-7(10-2-1-5-16-10)3-4-9(8)13-12(11)15/h1-6H,(H,13,14,15)
InChIKeyYOFGZEWPLABWQJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.55
Rot. Bonds1

About 5-thiophen-2-yl-1H-indole-2,3-dione

5-thiophen-2-yl-1H-indole-2,3-dione (PubChem CID 14810154) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-indole-2,3-dione
PubChem CID14810154
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name5-thiophen-2-yl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3cccs3)cc2C1=O
InChIInChI=1S/C12H7NO2S/c14-11-8-6-7(10-2-1-5-16-10)3-4-9(8)13-12(11)15/h1-6H,(H,13,14,15)
InChIKeyYOFGZEWPLABWQJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-indole-2,3-dione?
The IUPAC name of 5-thiophen-2-yl-1H-indole-2,3-dione (CID 14810154) is 5-thiophen-2-yl-1H-indole-2,3-dione.
What is the SMILES notation for 5-thiophen-2-yl-1H-indole-2,3-dione?
The canonical SMILES for 5-thiophen-2-yl-1H-indole-2,3-dione is O=C1Nc2ccc(-c3cccs3)cc2C1=O.
What is the InChIKey of 5-thiophen-2-yl-1H-indole-2,3-dione?
The InChIKey is YOFGZEWPLABWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-11-8-6-7(10-2-1-5-16-10)3-4-9(8)13-12(11)15/h1-6H,(H,13,14,15).
What are the key properties of 5-thiophen-2-yl-1H-indole-2,3-dione?
5-thiophen-2-yl-1H-indole-2,3-dione has a molecular weight of 229.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-indole-2,3-dione is sourced from PubChem (CID 14810154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).